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Compound Detail

CHEMBL4126462

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C/C1=C/C=C/C(=O)O[C@@H](CO)C/C(C)=C/COCC/C=C/C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126462
Phase Preclinical
Structure Type MOL
InChI Key YTFKFQFHJMQMRW-GGQBBCDTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.67
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O5
MW 334.41
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.45

Literature References

PubMed DOI Target Context # Activities
29784275 10.1016/j.bmc.2018.05.026 Unchecked 2
29784275 10.1016/j.bmc.2018.05.026 DU-145 1
29784275 10.1016/j.bmc.2018.05.026 LNCaP 1
29784275 10.1016/j.bmc.2018.05.026 PC-3 1

Data from ChEMBL 36 via Core Engine